3-[15-methoxy-10-[2-(trifluoromethoxy)ethyl]-2,4,10,11-tetrazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,8,11,14,16-heptaen-5-yl]-5-(oxan-4-yl)-1,2,4-oxadiazole

C24H23F3N6O4 — CID 170951542

About 3-[15-methoxy-10-[2-(trifluoromethoxy)ethyl]-2,4,10,11-tetrazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,8,11,14,16-heptaen-5-yl]-5-(oxan-4-yl)-1,2,4-oxadiazole

3-[15-methoxy-10-[2-(trifluoromethoxy)ethyl]-2,4,10,11-tetrazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,8,11,14,16-heptaen-5-yl]-5-(oxan-4-yl)-1,2,4-oxadiazole (PubChem CID 170951542) has the molecular formula C24H23F3N6O4 and a molecular weight of 516.48 g/mol. Its IUPAC name is 3-[15-methoxy-10-[2-(trifluoromethoxy)ethyl]-2,4,10,11-tetrazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,8,11,14,16-heptaen-5-yl]-5-(oxan-4-yl)-1,2,4-oxadiazole.

Molecular Properties

• Compound Name: 3-[15-methoxy-10-[2-(trifluoromethoxy)ethyl]-2,4,10,11-tetrazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,8,11,14,16-heptaen-5-yl]-5-(oxan-4-yl)-1,2,4-oxadiazole
• PubChem CID: 170951542
• Molecular Formula: C24H23F3N6O4
• Molecular Weight: 516.48 g/mol
• Exact Mass: 516.17
• IUPAC Name: 3-[15-methoxy-10-[2-(trifluoromethoxy)ethyl]-2,4,10,11-tetrazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,8,11,14,16-heptaen-5-yl]-5-(oxan-4-yl)-1,2,4-oxadiazole
• SMILES: COc1ccc2c(c1)-c1nn(CCOC(F)(F)F)cc1Cc1c(-c3noc(C4CCOCC4)n3)ncn1-2
• InChI: InChI=1S/C24H23F3N6O4/c1-34-16-2-3-18-17(11-16)20-15(12-32(30-20)6-9-36-24(25,26)27)10-19-21(28-13-33(18)19)22-29-23(37-31-22)14-4-7-35-8-5-14/h2-3,11-14H,4-10H2,1H3
• InChIKey: IZVNDHJNTZQDIE-UHFFFAOYSA-N
• XLogP: 4.13
• TPSA: 102.25 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	516.48
LogP ≤ 5	4.13
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 3-[15-methoxy-10-[2-(trifluoromethoxy)ethyl]-2,4,10,11-tetrazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,8,11,14,16-heptaen-5-yl]-5-(oxan-4-yl)-1,2,4-oxadiazole?

The IUPAC name of 3-[15-methoxy-10-[2-(trifluoromethoxy)ethyl]-2,4,10,11-tetrazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,8,11,14,16-heptaen-5-yl]-5-(oxan-4-yl)-1,2,4-oxadiazole (CID 170951542) is 3-[15-methoxy-10-[2-(trifluoromethoxy)ethyl]-2,4,10,11-tetrazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,8,11,14,16-heptaen-5-yl]-5-(oxan-4-yl)-1,2,4-oxadiazole.

What is the SMILES notation for 3-[15-methoxy-10-[2-(trifluoromethoxy)ethyl]-2,4,10,11-tetrazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,8,11,14,16-heptaen-5-yl]-5-(oxan-4-yl)-1,2,4-oxadiazole?

The canonical SMILES for 3-[15-methoxy-10-[2-(trifluoromethoxy)ethyl]-2,4,10,11-tetrazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,8,11,14,16-heptaen-5-yl]-5-(oxan-4-yl)-1,2,4-oxadiazole is COc1ccc2c(c1)-c1nn(CCOC(F)(F)F)cc1Cc1c(-c3noc(C4CCOCC4)n3)ncn1-2.

What is the InChIKey of 3-[15-methoxy-10-[2-(trifluoromethoxy)ethyl]-2,4,10,11-tetrazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,8,11,14,16-heptaen-5-yl]-5-(oxan-4-yl)-1,2,4-oxadiazole?

The InChIKey is IZVNDHJNTZQDIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N6O4/c1-34-16-2-3-18-17(11-16)20-15(12-32(30-20)6-9-36-24(25,26)27)10-19-21(28-13-33(18)19)22-29-23(37-31-22)14-4-7-35-8-5-14/h2-3,11-14H,4-10H2,1H3.

What are the key properties of 3-[15-methoxy-10-[2-(trifluoromethoxy)ethyl]-2,4,10,11-tetrazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,8,11,14,16-heptaen-5-yl]-5-(oxan-4-yl)-1,2,4-oxadiazole?

3-[15-methoxy-10-[2-(trifluoromethoxy)ethyl]-2,4,10,11-tetrazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,8,11,14,16-heptaen-5-yl]-5-(oxan-4-yl)-1,2,4-oxadiazole has a molecular weight of 516.48 g/mol, XLogP of 4.13, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[15-methoxy-10-[2-(trifluoromethoxy)ethyl]-2,4,10,11-tetrazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,8,11,14,16-heptaen-5-yl]-5-(oxan-4-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 170951542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).